[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone

C13H19N3O — CID 116584732

IUPAC[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone
SMILESNCC1CCCCC1C(=O)c1cccnc1N
InChIInChI=1S/C13H19N3O/c14-8-9-4-1-2-5-10(9)12(17)11-6-3-7-16-13(11)15/h3,6-7,9-10H,1-2,4-5,8,14H2,(H2,15,16)
InChIKeyLBNZFVBUSAKJEX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.61
Rot. Bonds3

About [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone

[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone (PubChem CID 116584732) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone
PubChem CID116584732
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone
SMILESNCC1CCCCC1C(=O)c1cccnc1N
InChIInChI=1S/C13H19N3O/c14-8-9-4-1-2-5-10(9)12(17)11-6-3-7-16-13(11)15/h3,6-7,9-10H,1-2,4-5,8,14H2,(H2,15,16)
InChIKeyLBNZFVBUSAKJEX-UHFFFAOYSA-N
XLogP1.61
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 130785485
[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
CID 116584561
[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
CID 116584564
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116584292
2-(aminomethyl)-N-(2-methyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 79043281
[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756836
2-amino-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 53334696
(2-amino-3-pyridinyl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 116597011
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
2-amino-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155108

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone (CID 116584732) is [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone is NCC1CCCCC1C(=O)c1cccnc1N.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone?
The InChIKey is LBNZFVBUSAKJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-8-9-4-1-2-5-10(9)12(17)11-6-3-7-16-13(11)15/h3,6-7,9-10H,1-2,4-5,8,14H2,(H2,15,16).
What are the key properties of [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone?
[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone is sourced from PubChem (CID 116584732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).